1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride

C18H21ClN4O — CID 120866036

IUPAC1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(-c2c3c(nc4ccccc24)CCC3)n1.Cl
InChIInChI=1S/C18H20N4O.ClH/c1-11(19-2)10-16-21-18(23-22-16)17-12-6-3-4-8-14(12)20-15-9-5-7-13(15)17;/h3-4,6,8,11,19H,5,7,9-10H2,1-2H3;1H
InChIKeyBVQXKHGDHNBGSB-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.35
Rot. Bonds4

About 1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride

1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride (PubChem CID 120866036) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
PubChem CID120866036
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1noc(-c2c3c(nc4ccccc24)CCC3)n1.Cl
InChIInChI=1S/C18H20N4O.ClH/c1-11(19-2)10-16-21-18(23-22-16)17-12-6-3-4-8-14(12)20-15-9-5-7-13(15)17;/h3-4,6,8,11,19H,5,7,9-10H2,1-2H3;1H
InChIKeyBVQXKHGDHNBGSB-UHFFFAOYSA-N
XLogP3.35
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride (CID 120866036) is 1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride is CNC(C)Cc1noc(-c2c3c(nc4ccccc24)CCC3)n1.Cl.
What is the InChIKey of 1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
The InChIKey is BVQXKHGDHNBGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O.ClH/c1-11(19-2)10-16-21-18(23-22-16)17-12-6-3-4-8-14(12)20-15-9-5-7-13(15)17;/h3-4,6,8,11,19H,5,7,9-10H2,1-2H3;1H.
What are the key properties of 1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride?
1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride has a molecular weight of 344.85 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120866036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).